1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine

C14H23NO — CID 116961458

IUPAC1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine
SMILESCNC(OC)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C14H23NO/c1-10-7-8-11(14(2,3)4)9-12(10)13(15-5)16-6/h7-9,13,15H,1-6H3
InChIKeyXDSQMTRWAQSAQG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.16
Rot. Bonds3

About 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine

1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine (PubChem CID 116961458) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine
PubChem CID116961458
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine
SMILESCNC(OC)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C14H23NO/c1-10-7-8-11(14(2,3)4)9-12(10)13(15-5)16-6/h7-9,13,15H,1-6H3
InChIKeyXDSQMTRWAQSAQG-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropan-1-amine
CID 116952746
4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859476
2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
CID 82083216
1-(4-tert-butyl-2-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948125
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-methylbenzene
CID 82084225
methyl 2-(5-tert-butyl-2-methylphenyl)acetate
CID 82127657
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947893
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
1-(2,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79198023

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine?
The IUPAC name of 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine (CID 116961458) is 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine is CNC(OC)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine?
The InChIKey is XDSQMTRWAQSAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-8-11(14(2,3)4)9-12(10)13(15-5)16-6/h7-9,13,15H,1-6H3.
What are the key properties of 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine?
1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methylphenyl)-1-methoxy-N-methylmethanamine is sourced from PubChem (CID 116961458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).